HRID172206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：Cc1nc(CCc2ccc(C(F)(F)F)cc2)oc1COc1ccc(C#N)c(Cl)c1

HCID59594672

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(CCc2ccc(C(F)(F)F)cc2)oc1COc1ccc(C(=N)NO)c(Cl)c1

HCID178432700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b702ea8793647099bd0179e14fb029d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:45][OH:46].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([O:10][CH2:11][c:12]2[c:13]([CH3:29])[n:14][c:15]([CH2:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[o:16]2)[cH:9]1.[ClH:30].[NH2:31][OH:32].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[Cl:1][c:2]1[c:3]([C:4](=[NH:5])[NH:31][OH:32])[cH:6][cH:7][c:8]([O:10][CH2:11][c:12]2[c:13]([CH3:29])[n:14][c:15]([CH2:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[o:16]2)[cH:9]1